CID 118134

2(1h)-naphthalenone, octahydro-6-(1-methylethyl)-

Structural Information

Molecular Formula
C13H22O
SMILES
CC(C)C1CCC2CC(=O)CCC2C1
InChI
InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3
InChIKey
HEKJOMVJRYMUDB-UHFFFAOYSA-N
Compound name
6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

807
Patents

194.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 146.0
[M+Na]+ 217.15629 149.8
[M-H]- 193.15979 149.0
[M+NH4]+ 212.20089 166.4
[M+K]+ 233.13023 147.5
[M+H-H2O]+ 177.16433 140.3
[M+HCOO]- 239.16527 161.2
[M+CH3COO]- 253.18092 187.0
[M+Na-2H]- 215.14174 147.6
[M]+ 194.16652 139.6
[M]- 194.16762 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe